Geometry & MOs

Info

ID:

297687

PubChem CID:

117625797

Reduced:

ClSF2N2O4C19H19 (1)

Stoich.:

ABC2D2E4F19G19 (1)

Weight, g/mol:

900.445549

ΔHf, kcal/mol:

-194.73

Dipole, Da:

3.26

IP(EA), eV:

 -9.6(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,14E,18S,22R,26S,29S)-26-cyclopentyl-N-[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-24,27-dioxo-11-(2-piperidin-1-ylethoxy)-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(C(=O)NO)NCC2=CC(=C(C=C2)C3=C(C=C(C=C3)Cl)F)F

DOS

IR

Vibrations